Update converted models
Browse files- index.json +23 -2
- lorem-demo.json +27 -0
- lorem-demo.safetensors +3 -0
- mace-mp-0b2-small.json +1 -0
- mace-mp-0b2-small.safetensors +3 -0
- mace-mp-0b3-medium.json +1 -0
- mace-mp-0b3-medium.safetensors +3 -0
index.json
CHANGED
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@@ -6,6 +6,27 @@
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"meta": "pet-mad-xs.json",
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"weights": "pet-mad-xs.safetensors"
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},
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{
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"name": "ani-2x",
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"kind": "ani",
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@@ -21,7 +42,7 @@
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{
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"name": "physnet-acetone",
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"kind": "physnet",
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"label": "PhysNet
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"meta": "physnet-acetone.json",
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"weights": "physnet-acetone.safetensors"
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},
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@@ -32,4 +53,4 @@
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"meta": "pet-mols-s-v1.0.json",
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"weights": "pet-mols-s-v1.0.safetensors"
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}
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]
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"meta": "pet-mad-xs.json",
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"weights": "pet-mad-xs.safetensors"
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},
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{
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"name": "mace-mp-0b3-medium",
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"kind": "mace",
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"label": "MACE-MP-0b3 medium",
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"meta": "mace-mp-0b3-medium.json",
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"weights": "mace-mp-0b3-medium.safetensors"
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},
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{
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"name": "mace-mp-0b2-small",
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"kind": "mace",
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"label": "MACE-MP-0b2 small",
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"meta": "mace-mp-0b2-small.json",
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"weights": "mace-mp-0b2-small.safetensors"
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},
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{
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"name": "lorem-demo",
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"kind": "lorem",
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"label": "LOREM demo",
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"meta": "lorem-demo.json",
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"weights": "lorem-demo.safetensors"
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},
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{
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"name": "ani-2x",
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"kind": "ani",
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{
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"name": "physnet-acetone",
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"kind": "physnet",
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"label": "PhysNet · acetone MP2",
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"meta": "physnet-acetone.json",
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"weights": "physnet-acetone.safetensors"
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},
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"meta": "pet-mols-s-v1.0.json",
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"weights": "pet-mols-s-v1.0.safetensors"
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}
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]
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lorem-demo.json
ADDED
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@@ -0,0 +1,27 @@
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{
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"kind": "lorem",
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"name": "LOREM demo",
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"atomic_numbers": [
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1,
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6,
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7,
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8,
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11,
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14,
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16,
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17
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],
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"embedding_rows": 100,
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"cutoff": 5.0,
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"max_degree": 2,
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"max_degree_lr": 1,
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"num_features": 16,
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"num_spherical_features": 4,
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"num_radial": 6,
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"num_species": 8,
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"num_message_passing": 1,
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"equivariant_message_passing": true,
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"initialize_node_features": true,
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"smearing": 1.25,
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"lr_wavelength": 0.625
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}
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lorem-demo.safetensors
ADDED
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version https://git-lfs.github.com/spec/v1
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oid sha256:a1aeb356922ad60183d906ce9f5811730fb323b55273b82e005a0d411c831aac
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size 128232
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mace-mp-0b2-small.json
ADDED
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@@ -0,0 +1 @@
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{"kind": "mace", "architecture": "mace", "atomic_numbers": [1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 89, 90, 91, 92, 93, 94], "r_max": 5.0, "sh_lmax": 3, "bessel": {"weights": [0.6283185307179586, 1.2566370614359172, 1.8849555921538759, 2.5132741228718345, 3.141592653589793, 3.7699111843077517, 4.39822971502571, 5.026548245743669], "prefactor": 0.6324555320336759}, "cutoff_p": 5, "e0": [-1.11734008, 0.00096759, -0.29754725, -0.01781697, -0.26885011, -1.26173507, -3.12438806, -1.54838784, -0.51882044, -0.01241601, -0.22883163, -0.00951015, -0.21630193, -0.8263903, -1.88816619, -0.89160769, -0.25828273, -0.04925973, -0.22697913, -0.0927795, -2.11396364, -2.50054871, -3.70477179, -5.60261985, -5.32541181, -3.52004933, -1.93555024, -0.9351969, -0.60025846, -0.1651332, -0.32990651, -0.77971828, -1.68367812, -0.76941032, -0.22213843, -0.0335879, -0.1881724, -0.06826294, -2.17084228, -2.28579303, -3.13429753, -4.60211419, -3.45201492, -2.38073513, -1.46855515, -1.4773126, -0.33954585, -0.16843877, -0.35470981, -0.83642657, -1.41101987, -0.65740879, -0.18964571, -0.00857582, -0.13771876, -0.03457659, -0.45580806, -1.3309175, -0.29671824, -0.30391193, -0.30898427, -0.25470891, -8.38001538, -10.38896525, -0.3059505, -0.30676216, -0.30874667, -0.31610927, -0.25190039, -0.06431414, -0.31997586, -3.52770927, -3.54492209, -4.65658356, -4.70108713, -2.88257209, -1.46779304, -0.50269936, -0.28801193, -0.12454674, -0.31737194, -0.77644932, -1.32627283, -0.26827152, -0.90817426, -2.47653193, -4.90438537, -7.63378961, -10.77237713], "scale": 1.7895356222853416, "shift": 0.0, "agnesi": {"a": 1.0805, "q": 0.9183, "p": 4.5791}, "zbl": {"c": [0.1818, 0.5099, 0.2802, 0.02817], "exponents": [3.2, 0.9423, 0.4028, 0.2016], "p": 5, "a_exp": 0.3, "a_prefactor": 0.4543, "bohr": 0.529, "coulomb": 14.3996}, "covalent_radii": [0.2, 0.31, 0.28, 1.28, 0.96, 0.84, 0.76, 0.71, 0.66, 0.57, 0.58, 1.66, 1.41, 1.21, 1.11, 1.07, 1.05, 1.02, 1.06, 2.03, 1.76, 1.7, 1.6, 1.53, 1.39, 1.39, 1.32, 1.26, 1.24, 1.32, 1.22, 1.22, 1.2, 1.19, 1.2, 1.2, 1.16, 2.2, 1.95, 1.9, 1.75, 1.64, 1.54, 1.47, 1.46, 1.42, 1.39, 1.45, 1.44, 1.42, 1.39, 1.39, 1.38, 1.39, 1.4, 2.44, 2.15, 2.07, 2.04, 2.03, 2.01, 1.99, 1.98, 1.98, 1.96, 1.94, 1.92, 1.92, 1.89, 1.9, 1.87, 1.87, 1.75, 1.7, 1.62, 1.51, 1.44, 1.41, 1.36, 1.36, 1.32, 1.45, 1.46, 1.48, 1.4, 1.5, 1.5, 2.6, 2.21, 2.15, 2.06, 2.0, 1.96, 1.9, 1.87, 1.8, 1.69, 0.2, 0.2, 0.2, 0.2, 0.2, 0.2, 0.2, 0.2, 0.2, 0.2, 0.2, 0.2, 0.2, 0.2, 0.2, 0.2, 0.2, 0.2, 0.2, 0.2, 0.2, 0.2], "channels": 128, "interactions": [{"kind": "density", "residual": false, "ls_in": [0], "ls_target": [0, 1, 2, 3], "radial_act": 1.679176792398942, "radial": [[64, 8], [64, 64], [64, 64], [512, 64]], "paths": 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mace-mp-0b2-small.safetensors
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@@ -0,0 +1,3 @@
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| 1 |
+
version https://git-lfs.github.com/spec/v1
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| 2 |
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oid sha256:a4271285822f8c151b3ee850535bea20762072cf1d335f7b3233e12e367b1418
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| 3 |
+
size 33047632
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mace-mp-0b3-medium.json
ADDED
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@@ -0,0 +1 @@
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| 1 |
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mace-mp-0b3-medium.safetensors
ADDED
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@@ -0,0 +1,3 @@
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| 1 |
+
version https://git-lfs.github.com/spec/v1
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| 2 |
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oid sha256:ee678025850afef72e719f20e0f6202eca034cc6a7d798b36dccfae2e2c0889b
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| 3 |
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size 36924856
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